1-(2-carboxyethyl)-3,4-dihydroisochromene-1-carboxylic acid

Systemtic Name: 1-(2-carboxyethyl)-3,4-dihydroisochromene-1-carboxylic acid Openeye Name: 1-(2-carboxyethyl)isochromane-1-carboxylic acid CAS Name: 1-(2-carboxyethyl)-3,4-dihydro-1H-2-benzopyran-1-carboxylic acid IUPAC Name: 1-(2-carboxyethyl)-3,4-dihydroisochromene-1-carboxylic acid Traditional Name: 1-(2-carboxyethyl)isochroman-1-carboxylic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)(CCC(=O)O)C(=O)O

Isomeric SMILES

C1COC(C2=CC=CC=C21)(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14O5/c14-11(15)5-7-13(12(16)17)10-4-2-1-3-9(10)6-8-18-13/h1-4H,5-8H2,(H,14,15)(H,16,17)